N-[2-(3,4-diethoxyphenyl)ethyl]-2-(2-methyl-8-oxothieno[2',3':4,5]pyrrolo[1,2-d][1,2,4]triazin-7(8H)-yl)acetamide
Chemical Structure Depiction of
N-[2-(3,4-diethoxyphenyl)ethyl]-2-(2-methyl-8-oxothieno[2',3':4,5]pyrrolo[1,2-d][1,2,4]triazin-7(8H)-yl)acetamide
N-[2-(3,4-diethoxyphenyl)ethyl]-2-(2-methyl-8-oxothieno[2',3':4,5]pyrrolo[1,2-d][1,2,4]triazin-7(8H)-yl)acetamide
Compound characteristics
| Compound ID: | C785-3338 |
| Compound Name: | N-[2-(3,4-diethoxyphenyl)ethyl]-2-(2-methyl-8-oxothieno[2',3':4,5]pyrrolo[1,2-d][1,2,4]triazin-7(8H)-yl)acetamide |
| Molecular Weight: | 454.55 |
| Molecular Formula: | C23 H26 N4 O4 S |
| Smiles: | CCOc1ccc(CCNC(CN2C(c3cc4c(cc(C)s4)n3C=N2)=O)=O)cc1OCC |
| Stereo: | ACHIRAL |
| logP: | 2.0281 |
| logD: | 2.0281 |
| logSw: | -2.9341 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 69.435 |
| InChI Key: | XXAWRVOAGUOIJE-UHFFFAOYSA-N |